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Molecular dynamics-driven drug discovery: leaping forward with confidence

Ganesan, Aravindhan; Coote, Michelle; Barakat, Khaled


Given the significant time and financial costs of developing a commercial drug, it remains important to constantly reform the drug discovery pipeline with novel technologies that can narrow the candidates down to the most promising lead compounds for clinical testing. The past decade has witnessed tremendous growth in computational capabilities that enable in silico approaches to expedite drug discovery processes. Molecular dynamics (MD) has become a particularly important tool in drug design...[Show more]

CollectionsANU Research Publications
Date published: 2017
Type: Journal article
Source: Drug discovery today
DOI: 10.1016/j.drudis.2016.11.001
Access Rights: Open Access


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